Information card for entry 2210197

Structure parameters

• Chemical name: 3(5,10)-Anthracena-7(1,3)-benzena-1,5(1,3)-diimidazolacyclooctaphane-1,3-diium dihexafluorophosphate acetonitrile trisolvate
• Formula: C36 H35 F12 N7 P2
• Calculated formula: C36 H35 F12 N7 P2
• Title of publication: 3(5,10)-Anthracena-7(1,3)-benzena-1,5(1,3)-diimidazolacyclooctaphane-1,3-diium bis(hexafluorophosphate) acetonitrile trisolvate
• Authors of publication: Da-Bin Qin; Lin-Hai Jin; Shao-Jin Gu; Huan-Xia zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4176 - o4177
• a: 8.643 ± 0.002 Å
• b: 22.391 ± 0.006 Å
• c: 20.983 ± 0.005 Å
• α: 90°
• β: 98.506 ± 0.005°
• γ: 90°
• Cell volume: 4016.1 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes